N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide

C13H26N2O3 — CID 119755010

IUPACN-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
SMILESCCOCCN(CC)C(=O)C1(OC)CCNCC1
InChIInChI=1S/C13H26N2O3/c1-4-15(10-11-18-5-2)12(16)13(17-3)6-8-14-9-7-13/h14H,4-11H2,1-3H3
InChIKeyBZDMRGIZSXKHLP-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds7

About N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide

N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide (PubChem CID 119755010) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
PubChem CID119755010
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
SMILESCCOCCN(CC)C(=O)C1(OC)CCNCC1
InChIInChI=1S/C13H26N2O3/c1-4-15(10-11-18-5-2)12(16)13(17-3)6-8-14-9-7-13/h14H,4-11H2,1-3H3
InChIKeyBZDMRGIZSXKHLP-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide (CID 119755010) is N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide is CCOCCN(CC)C(=O)C1(OC)CCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide?
The InChIKey is BZDMRGIZSXKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-15(10-11-18-5-2)12(16)13(17-3)6-8-14-9-7-13/h14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119755010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).